1,3-bis[(3,5-dimethylphenyl)sulfanyl]-5-methylbenzene

C23H24S2 — CID 58611442

IUPAC1,3-bis[(3,5-dimethylphenyl)sulfanyl]-5-methylbenzene
SMILESCc1cc(C)cc(Sc2cc(C)cc(Sc3cc(C)cc(C)c3)c2)c1
InChIInChI=1S/C23H24S2/c1-15-6-16(2)9-20(8-15)24-22-12-19(5)13-23(14-22)25-21-10-17(3)7-18(4)11-21/h6-14H,1-5H3
InChIKeyLOKJTZDHAMLIQG-UHFFFAOYSA-N
MW364.58 g/mol
LogP7.53
Rot. Bonds4

About 1,3-bis[(3,5-dimethylphenyl)sulfanyl]-5-methylbenzene

1,3-bis[(3,5-dimethylphenyl)sulfanyl]-5-methylbenzene (PubChem CID 58611442) has the molecular formula C23H24S2 and a molecular weight of 364.58 g/mol. Its IUPAC name is 1,3-bis[(3,5-dimethylphenyl)sulfanyl]-5-methylbenzene.

Molecular Properties

Compound Name1,3-bis[(3,5-dimethylphenyl)sulfanyl]-5-methylbenzene
PubChem CID58611442
Molecular FormulaC23H24S2
Molecular Weight364.58 g/mol
Exact Mass364.13
IUPAC Name1,3-bis[(3,5-dimethylphenyl)sulfanyl]-5-methylbenzene
SMILESCc1cc(C)cc(Sc2cc(C)cc(Sc3cc(C)cc(C)c3)c2)c1
InChIInChI=1S/C23H24S2/c1-15-6-16(2)9-20(8-15)24-22-12-19(5)13-23(14-22)25-21-10-17(3)7-18(4)11-21/h6-14H,1-5H3
InChIKeyLOKJTZDHAMLIQG-UHFFFAOYSA-N
XLogP7.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.58
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(3,5-dimethylphenyl)sulfanyl]-5-methylbenzene?
The IUPAC name of 1,3-bis[(3,5-dimethylphenyl)sulfanyl]-5-methylbenzene (CID 58611442) is 1,3-bis[(3,5-dimethylphenyl)sulfanyl]-5-methylbenzene.
What is the SMILES notation for 1,3-bis[(3,5-dimethylphenyl)sulfanyl]-5-methylbenzene?
The canonical SMILES for 1,3-bis[(3,5-dimethylphenyl)sulfanyl]-5-methylbenzene is Cc1cc(C)cc(Sc2cc(C)cc(Sc3cc(C)cc(C)c3)c2)c1.
What is the InChIKey of 1,3-bis[(3,5-dimethylphenyl)sulfanyl]-5-methylbenzene?
The InChIKey is LOKJTZDHAMLIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24S2/c1-15-6-16(2)9-20(8-15)24-22-12-19(5)13-23(14-22)25-21-10-17(3)7-18(4)11-21/h6-14H,1-5H3.
What are the key properties of 1,3-bis[(3,5-dimethylphenyl)sulfanyl]-5-methylbenzene?
1,3-bis[(3,5-dimethylphenyl)sulfanyl]-5-methylbenzene has a molecular weight of 364.58 g/mol, XLogP of 7.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(3,5-dimethylphenyl)sulfanyl]-5-methylbenzene is sourced from PubChem (CID 58611442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).